Openmm MCP Server
未认领OpenMM, an open-source platform for molecular dynamics (MD) simulations, is supported by an MCP server that offers a structured communication interface for task submission, management, and execution.
安装
$
pip install -r requirements.txt工具（9 个）
analyze_results
Analyze simulation results
control_simulation
Control simulation execution (start/stop/pause)
create_advanced_md_simulation
Full OpenMM feature support (50+ parameters)
create_dft_calculation
Create DFT calculations
create_md_simulation
Create simple MD simulations
get_task_status
Check task status
list_all_tasks
List all tasks
setup_membrane_simulation
Membrane protein simulation setup
setup_protein_simulation
Pre-configured protein simulation templates